
Data = [
    # From Rappe/Goddard JACS 114, 10024 (1992)
    # sym, r0, th0, x0, D0, sc, Zeff, atno, hyb, invertible, resonating
    ('H_',  0.354, 180.00, 2.886, 0.044, 12.00, 0.712,  1, 1, 0, 0),
    ('C_3', 0.757, 109.47, 3.851, 0.105, 12.73, 1.912,  6, 4, 0, 0),
    ('C_R', 0.729, 120.00, 3.851, 0.105, 12.73, 1.912,  6, 3, 1, 1),
    ('C_2', 0.732, 120.00, 3.851, 0.105, 12.73, 1.912,  6, 3, 1, 0),
    ('C_1', 0.706, 180.00, 3.851, 0.105, 12.73, 1.912,  6, 2, 0, 0),
    ('N_3', 0.700, 106.70, 3.660, 0.069, 13.41, 2.544,  7, 3, 1, 0),
    ('N_R', 0.699, 120.00, 3.660, 0.069, 13.41, 2.544,  7, 2, 0, 1),
    ('N_2', 0.685, 111.10, 3.660, 0.069, 13.41, 2.544,  7, 2, 0, 0),
    ('N_1', 0.656, 180.00, 3.660, 0.069, 13.41, 2.544,  7, 1, 0, 0),
    ('O_3', 0.658, 104.51, 3.500, 0.060, 14.09, 2.300,  8, 3, 1, 0),
    ('O_R', 0.680, 110.00, 3.500, 0.060, 14.09, 2.300,  8, 2, 0, 1),
    ('O_2', 0.634, 120.00, 3.500, 0.060, 14.09, 2.300,  8, 2, 0, 0),
    ('O_1', 0.639, 180.00, 3.500, 0.060, 14.09, 2.300,  8, 1, 0, 0),
    ('F_',  0.668, 180.00, 3.364, 0.050, 14.76, 1.735,  9, 1, 0, 0),
    ('Si3', 1.117, 109.47, 4.295, 0.402, 12.18, 2.323, 14, 4, 0, 0)
    ]

DefaultTypes = [ None, 0, None,
                 None, None,   None, 1, 5, 9, 13, None,
                 None, None,   None, 14, None, None, None, None]

